440917
  DSViewer          3D                             0

 26 26  0  0  0  0  0  0  0  0999 V2000
    2.9457    1.0310   -0.0575 C   0  0  2  0  0  0  0  0  0  1
    1.6184    0.3657    0.2671 C   0  0  0  0  0  0  0  0  0  2
    4.0690    0.3315    0.7221 C   0  0  0  0  0  0  0  0  0  3
    1.6610   -1.0870   -0.2637 C   0  0  0  0  0  0  0  0  0  4
    2.9742   -1.7991    0.0306 C   0  0  0  0  0  0  0  0  0  5
    4.0576   -1.1520    0.4721 C   0  0  0  0  0  0  0  0  0  6
    2.9458    2.4977    0.2949 C   0  0  0  0  0  0  0  0  0  7
    3.0640   -3.2777   -0.2121 C   0  0  0  0  0  0  0  0  0  8
    4.2348    3.2696    0.2936 C   0  0  0  0  0  0  0  0  0  9
    1.8046    3.1187    0.5872 C   0  0  0  0  0  0  0  0  0 10
    3.1559    0.9270   -1.1317 H   0  0  0  0  0  0  0  0  0 11
    1.4634    0.3594    1.3460 H   0  0  0  0  0  0  0  0  0 12
    0.8059    0.9101   -0.2141 H   0  0  0  0  0  0  0  0  0 13
    5.0292    0.7386    0.4054 H   0  0  0  0  0  0  0  0  0 14
    3.9300    0.5141    1.7877 H   0  0  0  0  0  0  0  0  0 15
    0.8513   -1.6488    0.2018 H   0  0  0  0  0  0  0  0  0 16
    1.5145   -1.0647   -1.3436 H   0  0  0  0  0  0  0  0  0 17
    4.9682   -1.7214    0.6581 H   0  0  0  0  0  0  0  0  0 18
    4.0628   -3.6288    0.0468 H   0  0  0  0  0  0  0  0  0 19
    2.8673   -3.4863   -1.2637 H   0  0  0  0  0  0  0  0  0 20
    2.3272   -3.7930    0.4041 H   0  0  0  0  0  0  0  0  0 21
    4.0389    4.3054    0.5708 H   0  0  0  0  0  0  0  0  0 22
    4.6768    3.2381   -0.7023 H   0  0  0  0  0  0  0  0  0 23
    4.9252    2.8263    1.0112 H   0  0  0  0  0  0  0  0  0 24
    0.8646    2.5670    0.5724 H   0  0  0  0  0  0  0  0  0 25
    1.8104    4.1787    0.8411 H   0  0  0  0  0  0  0  0  0 26
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  7  1  0  0  0
  1 11  1  0  0  0
  2  4  1  0  0  0
  2 12  1  0  0  0
  2 13  1  0  0  0
  3  6  1  0  0  0
  3 14  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  4 17  1  0  0  0
  5  6  2  0  0  0
  5  8  1  0  0  0
  6 18  1  0  0  0
  7  9  1  0  0  0
  7 10  2  0  0  0
  8 19  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
440917

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
163

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGAAAAAAADQCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4R)-4-isopropenyl-1-methyl-cyclohexene

> <PUBCHEM_IUPAC_CAS_NAME>
(4R)-1-methyl-4-(1-methylethenyl)cyclohexene

> <PUBCHEM_IUPAC_NAME>
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4R)-1-methyl-4-prop-1-en-2-yl-cyclohexene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4R)-4-isopropenyl-1-methyl-cyclohexene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
XMGQYMWWDOXHJM-JTQLQIEISA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
136.125

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16

> <PUBCHEM_MOLECULAR_WEIGHT>
136.234

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC(CC1)C(=C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC[C@@H](CC1)C(=C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
136.125

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  7  5

$$$$